CID 74027047

(1s,2r,3s)-2,3-dihydro-4-(4-hydroxyphenyl)-1h-phenalene-1,2,3-triol

Structural Information

Molecular Formula
C19H16O4
SMILES
C1=CC2=C3C(=C1)C(C(C(C3=C(C=C2)C4=CC=C(C=C4)O)O)O)O
InChI
InChI=1S/C19H16O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17-23H
InChIKey
SPLDXWBMWDTALK-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.112136 169.9
[M+Na]+ 331.094078 178.1
[M-H]- 307.097584 173.1
[M+NH4]+ 326.138683 184.6
[M+K]+ 347.068018 172.1
[M+H-H2O]+ 291.102120 162.8
[M+HCOO]- 353.103061 183.6
[M+CH3COO]- 367.118711 179.8
[M+Na-2H]- 329.079526 174.2
[M]+ 308.10431142 168.2
[M]- 308.10540858 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.